| CAS Number | 923249-45-0 |
| Catalog Number | AG01ELQ9 |
| Chemical Name | N-(3-nitro-6-oxo-1,6-dihydropyridin-2-yl)acetamide |
| IUPAC Name | N-(3-nitro-6-oxo-1H-pyridin-2-yl)acetamide |
| InChI | InChI=1S/C7H7N3O4/c1-4(11)8-7-5(10(13)14)2-3-6(12)9-7/h2-3H,1H3,(H2,8,9,11,12) |
| InChI Key | PKRPEMDJIZOMSG-UHFFFAOYSA-N |
| MDL Number | MFCD08691375 |
| Molecular Formula | C7H7N3O4 |
| Molecular Weight | 197.1482 |
| SMILES | CC(NC1=C([N+]([O-])=O)C=CC(=O)N1)=O |
| Synonyms | N-(3-nitro-6-oxo-1,6-dihydropyridin-2-yl)acetamide,
923249-45-0,
AC1Q1KJ2,
CTK6A0576,
ZINC8939819,
AKOS009106451,
MCULE-3300248617,
NE24426,
EN300-26551,
Z227830202,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.15g/mol |
| Monoisotopic Mass | 197.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number